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97SRC237 - C25H15ClFeO2

Sample Originator: Ian R. Butlera.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University of Wales, Bangora
University of Southamptonb

C25H15ClFeO2

InChI=1/C19H10ClO2.C5H5.Fe/c20-13-6-8-15-17(10-13)19(22)14-7-5-12(9-16(14)18(15)21)11-3-1-2-4-11;1-2-4-5-3-1;/h1-10H;1-5H;

Identification Number:10.5258/ecrystals/1039
Controlled Keywords:iron compounds, ferrocene compounds
Date Created:08 October 1997
Deposited On:28 Mar 2012 12:55
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC24 H15 Cl Fe O2
Crystal morphology
Crystal systemOrthorhombic
Space group symbolPbca
Cell length a7.594(3)
Cell length b15.1770(12)
Cell length c31.13(2)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0375
R Factor (All)0.3225
Weighted R Factor (Obs)0.0572
Weighted R Factor (All)0.1060

Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (1997) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1039)
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